2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide

C15H19N3O2 — CID 91795310

IUPAC2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide
SMILESCN(CCO)CC(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-18(8-9-19)11-15(20)17-10-12-6-7-16-14-5-3-2-4-13(12)14/h2-7,19H,8-11H2,1H3,(H,17,20)
InChIKeyYJUSYSYBKYVPLE-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide

2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide (PubChem CID 91795310) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide
PubChem CID91795310
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide
SMILESCN(CCO)CC(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-18(8-9-19)11-15(20)17-10-12-6-7-16-14-5-3-2-4-13(12)14/h2-7,19H,8-11H2,1H3,(H,17,20)
InChIKeyYJUSYSYBKYVPLE-UHFFFAOYSA-N
XLogP0.78
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-hydroxyethyl)-3-(quinolin-4-ylmethyl)urea
CID 126449705
1-methyl-1-[(2R)-1-methylsulfanylbutan-2-yl]-3-(quinolin-4-ylmethyl)urea
CID 97109220
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide (CID 91795310) is 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide is CN(CCO)CC(=O)NCc1ccnc2ccccc12.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide?
The InChIKey is YJUSYSYBKYVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(8-9-19)11-15(20)17-10-12-6-7-16-14-5-3-2-4-13(12)14/h2-7,19H,8-11H2,1H3,(H,17,20).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide?
2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-N-(quinolin-4-ylmethyl)acetamide is sourced from PubChem (CID 91795310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).